2-[[(4S,5R)-4-(hexanoylamino)-5-phenylmethoxycarbonyloxy-dodecyl]-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium

Systemtic Name: 2-[[(4S,5R)-4-(hexanoylamino)-5-phenylmethoxycarbonyloxy-dodecyl]-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium Openeye Name: 2-[[(4S,5R)-5-benzyloxycarbonyloxy-4-(hexanoylamino)dodecyl]-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium CAS Name: 2-[hydroxy-[(4S,5R)-4-(1-oxohexylamino)-5-phenylmethoxycarbonyloxydodecyl]phosphoryl]oxyethyl-trimethylammonium IUPAC Name: 2-[[(4S,5R)-4-(hexanoylamino)-5-phenylmethoxycarbonyloxydodecyl]-hydroxyphosphoryl]oxyethyl-trimethylazanium Traditional Name: 2-[[(4S,5R)-4-(caproylamino)-5-carbobenzoxyoxy-dodecyl]-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium Formula: C31H56N2O7P+ MolecularWeight: 599.759301

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(C(CCCP(=O)(O)OCC[N+](C)(C)C)NC(=O)CCCCC)OC(=O)OCC1=CC=CC=C1

Isomeric SMILES

CCCCCCC[C@H]([C@H](CCCP(=O)(O)OCC[N+](C)(C)C)NC(=O)CCCCC)OC(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C31H55N2O7P/c1-6-8-10-11-16-21-29(40-31(35)38-26-27-18-14-12-15-19-27)28(32-30(34)22-13-9-7-2)20-17-25-41(36,37)39-24-23-33(3,4)5/h12,14-15,18-19,28-29H,6-11,13,16-17,20-26H2,1-5H3,(H-,32,34,36,37)/p+1/t28-,29+/m0/s1